TiCrAgS4
TiCrAgS4 is a semiconducting quaternary sulfide compound that is theoretically stable enough to be a target for laboratory synthesis.
About TiCrAgS4
TiCrAgS4 is a complex quaternary sulfide composed of silver, chromium, titanium, and sulfur. As a semiconducting material, it sits at the intersection of transition metal chemistry and chalcogenide research, offering unique electronic properties derived from its specific atomic arrangement.
Because it is identified as a near-hull stable phase, TiCrAgS4 is considered a viable candidate for experimental synthesis. Its structural data richness suggests it is part of a broader family of materials that are frequently explored for their potential in optoelectronic and energy-related applications.
Key Properties
Cross-validated computational properties for TiCrAgS4, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for TiCrAgS4, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| I212121 (No. 24) | orthorhombic | 0.18 | 0.0037 | -6.382 | 4.09 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0043 | -6.381 | 4.08 |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0049 | -6.381 | 4.19 |
| Cm (No. 8) | monoclinic | 0.22 | 0.0070 | -6.379 | 4.20 |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0117 | -6.374 | 4.12 |
| P1 (No. 1) | triclinic | 0.39 | 0.0323 | -6.353 | 4.06 |
| Pmmn (No. 59) | orthorhombic | 0.35 | 0.0364 | -6.349 | 4.06 |
| Pm (No. 6) | monoclinic | 0.00 | 0.0671 | -6.319 | 3.91 |
| Pmn21 (No. 31) | orthorhombic | 0.35 | 0.0860 | -6.300 | 4.43 |
| Pmc21 (No. 26) | orthorhombic | 0.31 | 0.0876 | -6.298 | 4.44 |
| Pmn21 (No. 31) | orthorhombic | 0.27 | 0.0925 | -6.293 | 4.43 |
| Pnma (No. 62) | orthorhombic | 0.45 | 0.0945 | -6.291 | 4.27 |
Applications
Where TiCrAgS4 is used.
Frequently Asked Questions
Common questions about TiCrAgS4, answered from cross-validated data.
What is TiCrAgS4?
TiCrAgS4 is a semiconducting quaternary sulfide compound that is theoretically stable enough to be a target for laboratory synthesis.
What is TiCrAgS4 used for?
What is the band gap of TiCrAgS4?
Is TiCrAgS4 a metal, semiconductor, or insulator?
Is TiCrAgS4 thermodynamically stable?
What is the crystal structure of TiCrAgS4?
What is the density of TiCrAgS4?
How many polymorphs of TiCrAgS4 are known?
What elements does TiCrAgS4 contain?
Where does the data for TiCrAgS4 come from?
How It Compares
As a quaternary sulfide, TiCrAgS4 represents a specialized composition within the broader landscape of complex chalcogenides. While it does not belong to a strictly defined class in this context, its stability profile and semiconducting nature position it as a noteworthy subject for those investigating the synthesis and characterization of multi-element sulfide frameworks.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
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